phenyl N-[(prop-2-enoylamino)methylidene]carbamate

C11H10N2O3 — CID 154146192

IUPACphenyl N-[(prop-2-enoylamino)methylidene]carbamate
SMILESC=CC(=O)NC=NC(=O)Oc1ccccc1
InChIInChI=1S/C11H10N2O3/c1-2-10(14)12-8-13-11(15)16-9-6-4-3-5-7-9/h2-8H,1H2,(H,12,13,14,15)
InChIKeyNRBZKSSPXRFACW-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.52
Rot. Bonds3

About phenyl N-[(prop-2-enoylamino)methylidene]carbamate

phenyl N-[(prop-2-enoylamino)methylidene]carbamate (PubChem CID 154146192) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is phenyl N-[(prop-2-enoylamino)methylidene]carbamate.

Molecular Properties

Compound Namephenyl N-[(prop-2-enoylamino)methylidene]carbamate
PubChem CID154146192
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namephenyl N-[(prop-2-enoylamino)methylidene]carbamate
SMILESC=CC(=O)NC=NC(=O)Oc1ccccc1
InChIInChI=1S/C11H10N2O3/c1-2-10(14)12-8-13-11(15)16-9-6-4-3-5-7-9/h2-8H,1H2,(H,12,13,14,15)
InChIKeyNRBZKSSPXRFACW-UHFFFAOYSA-N
XLogP1.52
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

phenyl N-ethylidenecarbamate
CID 57026062
methyl (1Z,2Z)-N-phenoxycarbonylpenta-2,4-dienimidate
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buta-1,3-diene;diphenyl carbonate
CID 87173366
phenyl N-sulfanylidenecarbamate
CID 13221372
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
(4-phenylperoxyphenyl) prop-2-enoate
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oxirane;phenyl prop-2-enoate
CID 87443709
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CID 20754860
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CID 66735010
N'-phenylprop-2-enehydrazide
CID 21179187

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(prop-2-enoylamino)methylidene]carbamate?
The IUPAC name of phenyl N-[(prop-2-enoylamino)methylidene]carbamate (CID 154146192) is phenyl N-[(prop-2-enoylamino)methylidene]carbamate.
What is the SMILES notation for phenyl N-[(prop-2-enoylamino)methylidene]carbamate?
The canonical SMILES for phenyl N-[(prop-2-enoylamino)methylidene]carbamate is C=CC(=O)NC=NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(prop-2-enoylamino)methylidene]carbamate?
The InChIKey is NRBZKSSPXRFACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-10(14)12-8-13-11(15)16-9-6-4-3-5-7-9/h2-8H,1H2,(H,12,13,14,15).
What are the key properties of phenyl N-[(prop-2-enoylamino)methylidene]carbamate?
phenyl N-[(prop-2-enoylamino)methylidene]carbamate has a molecular weight of 218.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(prop-2-enoylamino)methylidene]carbamate is sourced from PubChem (CID 154146192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).